CID 59405

102504-35-8

Structural Information

Molecular Formula

C₁₅H₂₃N₃O₂

SMILES

CCN(CC)CCC1=NNC(O1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C15H23N3O2/c1-4-18(5-2)11-10-14-16-17-15(20-14)12-6-8-13(19-3)9-7-12/h6-9,15,17H,4-5,10-11H2,1-3H3

InChIKey

YEKFYENDGYDVKD-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-[2-(4-methoxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.17902 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	278.186296	167.3
[M+Na]+	300.168238	172.9
[M-H]-	276.171744	171.5
[M+NH4]+	295.212843	180.8
[M+K]+	316.142178	171.3
[M+H-H2O]+	260.176280	158.1
[M+HCOO]-	322.177221	187.5
[M+CH3COO]-	336.192871	202.7
[M+Na-2H]-	298.153686	169.7
[M]+	277.17847142	169.9
[M]-	277.17956858	169.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.